Brief Information of the Compound and Protein
Compound Name
ERGOCRISTINE
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PubChem ID
CID: 31116
SID: 15087665
Canonical SMILES
CC(C)[C@@]1(NC(=O)[C@H]2CN(C)[C@@H]3Cc4c[nH]c5cccc(C3=C2)c45)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O
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Compound Formula C35H39N5O5
Compound Structure
Protein Name
ATP-dependent translocase ABCB1
Protein Classification
Transporter
>
Primary active transporter
>
ATP-binding cassette
>
ABCB subfamily
Uniprot ID
P08183
Gene Name
ABCB1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000009 LLC-PK1 Sus scrofa (Pig)  2
1
Ki = 13330 nM
   TI
   LI
   LO
   TS
2
Ki = 42800 nM
   TI
   LI
   LO
   TS